1GU7

Enoyl thioester reductase from Candida tropicalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	66.328, 100.513, 80.686
Unit cell angles	90.00, 101.10, 90.00

Refinement procedure

Resolution	20.000 * - 1.700
R-factor	0.174
Rwork	0.174
R-free	0.19200
Structure solution method	MIR
RMSD bond length	0.011 *
RMSD bond angle	24.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.036	0.330
Number of reflections	113812	10941 *
<I/σ(I)>	32.7	3.5
Completeness [%]	99.5	96.7
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *		pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.7 (mg/ml)
2	1	drop	sodium phosphate	50 (mM)	pH7.0
3	1	drop		150 (mM)
4	1	reservoir	ammonium sulfate	2.0 (M)
5	1	reservoir	ADA/NaOH	0.1 (M)	pH6.5
6	1	reservoir		0.1 (M)